marcus.lundbe from gmail.com wrote:
> We have a start already: the larger the molecule, the longer the
> calculation, in general. This rule only results in limited success.
> There is some other feature of the molecule or computation that causes
> some small molecules to take an exorbitant amount of time, and some
> larger molecules are finished very quickly.
Try bionet.biology.computational, people hanging out there may be able
to help.